4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

C25H29N3O4 — CID 19351097

IUPAC4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCN(CC)Cc1cccc2c(C(C)ONC(=O)c3ccc(C(=O)NO)cc3)cccc12
InChIInChI=1S/C25H29N3O4/c1-4-28(5-2)16-20-8-6-11-23-21(9-7-10-22(20)23)17(3)32-27-25(30)19-14-12-18(13-15-19)24(29)26-31/h6-15,17,31H,4-5,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyBFAWLWAAVKXNFV-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.22
Rot. Bonds9

About 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 19351097) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID19351097
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCN(CC)Cc1cccc2c(C(C)ONC(=O)c3ccc(C(=O)NO)cc3)cccc12
InChIInChI=1S/C25H29N3O4/c1-4-28(5-2)16-20-8-6-11-23-21(9-7-10-22(20)23)17(3)32-27-25(30)19-14-12-18(13-15-19)24(29)26-31/h6-15,17,31H,4-5,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyBFAWLWAAVKXNFV-UHFFFAOYSA-N
XLogP4.22
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
1-[2-(4-Naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-isochroman-6-carboxylic acid amide
CID 10070281
1-{2-[4-(7-Fluoro-naphthalen-1-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 44461425
1-[2-(4-Naphthalen-1-yl-piperidin-1-yl)-ethyl]-isochroman-6-carboxylic acid amide
CID 44461443
1-{2-[4-(6-Fluoro-naphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 44461416
N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide
CID 22986821
US8609678, 4-(ethoxydiphenylmethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [109]
CID 58536966
US8609678, 4-((4-(7-(hydroxyamino)-7-oxoheptylcarbamoyl)phenyl)(methoxy)(phenyl)methyl)-N,N-dimethylbenzamide [157]
CID 87343125
US8609678, 4-(hydroxy(4-(7-(hydroxyamino)-7-oxoheptylcarbamoyl)phenyl)(phenyl)methyl)-N,N-dimethylbenzamide [153]
CID 87356310
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide
CID 155513254
2-[2-[Hydroxy(1-phenanthren-2-ylethyl)carbamoyl]phenyl]benzoic acid
CID 10367045
N-[(2S)-1,3-dihydroxy-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 44421791

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (CID 19351097) is 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is CCN(CC)Cc1cccc2c(C(C)ONC(=O)c3ccc(C(=O)NO)cc3)cccc12.
What is the InChIKey of 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is BFAWLWAAVKXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-28(5-2)16-20-8-6-11-23-21(9-7-10-22(20)23)17(3)32-27-25(30)19-14-12-18(13-15-19)24(29)26-31/h6-15,17,31H,4-5,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 435.52 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 19351097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).